CID 13217339

1h-pyrrolizine-7a(5h)-acetamide, tetrahydro-n-(2,6-diethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C19H28N2O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)CC23CCCN2CCC3
InChI
InChI=1S/C19H28N2O/c1-3-15-8-5-9-16(4-2)18(15)20-17(22)14-19-10-6-12-21(19)13-7-11-19/h5,8-9H,3-4,6-7,10-14H2,1-2H3,(H,20,22)
InChIKey
SGBXCMYLPMTGAA-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 175.8
[M+Na]+ 323.20937 180.3
[M-H]- 299.21287 181.2
[M+NH4]+ 318.25397 195.7
[M+K]+ 339.18331 175.9
[M+H-H2O]+ 283.21741 168.3
[M+HCOO]- 345.21835 194.7
[M+CH3COO]- 359.23400 206.3
[M+Na-2H]- 321.19482 174.9
[M]+ 300.21960 173.5
[M]- 300.22070 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.